Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 20/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22848184 | 0.94 | KRAS (0.40) | KRASCYP3A4CYP2D6CYP3A5CYP3A7 | |
| SCHEMBL22848275 | 0.86 | KRAS (0.42) | KRASCYP3A4CYP2D6CYP3A5CYP3A7 | |
| SCHEMBL29614787 | 0.86 | KRAS (0.42) | KRASCYP3A4CYP2D6CYP3A5CYP3A7 | |
| SCHEMBL31052998 | 0.85 | KRAS (0.46) | KRAS | |
| SCHEMBL22848276 | 0.78 | KRAS (0.51) | KRAS | |
| SCHEMBL31053005 | 0.78 | KRAS (0.35) | KRAS | |
| SCHEMBL22848337 | 0.72 | KRAS (0.41) | KRAS | |
| SCHEMBL24436453 | 0.71 | KRAS (0.48) | KRAS | |
| SCHEMBL29614983 | 0.71 | KRAS (0.48) | KRAS | |
| SCHEMBL22848173 | 0.71 | KRAS (0.47) | KRAS |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114008037-B | Heterocyclic compounds as KRAS G12C inhibitors | 广东新契生物医药科技有限公司 | 2024-06-21 | — | — | CN | disclosed |